5-[2-(2-fluorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide

C25H22FN3O4 — CID 135910239

IUPAC5-[2-(2-fluorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1ccccc1CN(C)C(=O)c1cc(-c2ccnn2-c2ccccc2F)c(O)cc1O
InChIInChI=1S/C25H22FN3O4/c1-28(15-16-7-3-6-10-24(16)33-2)25(32)18-13-17(22(30)14-23(18)31)20-11-12-27-29(20)21-9-5-4-8-19(21)26/h3-14,30-31H,15H2,1-2H3
InChIKeyFGMFCXQAMGKCCT-UHFFFAOYSA-N
MW447.47 g/mol
LogP4.37
Rot. Bonds6

About 5-[2-(2-fluorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide

5-[2-(2-fluorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide (PubChem CID 135910239) has the molecular formula C25H22FN3O4 and a molecular weight of 447.47 g/mol. Its IUPAC name is 5-[2-(2-fluorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name5-[2-(2-fluorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
PubChem CID135910239
Molecular FormulaC25H22FN3O4
Molecular Weight447.47 g/mol
Exact Mass447.16
IUPAC Name5-[2-(2-fluorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1ccccc1CN(C)C(=O)c1cc(-c2ccnn2-c2ccccc2F)c(O)cc1O
InChIInChI=1S/C25H22FN3O4/c1-28(15-16-7-3-6-10-24(16)33-2)25(32)18-13-17(22(30)14-23(18)31)20-11-12-27-29(20)21-9-5-4-8-19(21)26/h3-14,30-31H,15H2,1-2H3
InChIKeyFGMFCXQAMGKCCT-UHFFFAOYSA-N
XLogP4.37
TPSA87.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.47
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-fluorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide?
The IUPAC name of 5-[2-(2-fluorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide (CID 135910239) is 5-[2-(2-fluorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 5-[2-(2-fluorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 5-[2-(2-fluorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide is COc1ccccc1CN(C)C(=O)c1cc(-c2ccnn2-c2ccccc2F)c(O)cc1O.
What is the InChIKey of 5-[2-(2-fluorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide?
The InChIKey is FGMFCXQAMGKCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O4/c1-28(15-16-7-3-6-10-24(16)33-2)25(32)18-13-17(22(30)14-23(18)31)20-11-12-27-29(20)21-9-5-4-8-19(21)26/h3-14,30-31H,15H2,1-2H3.
What are the key properties of 5-[2-(2-fluorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide?
5-[2-(2-fluorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide has a molecular weight of 447.47 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-fluorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 135910239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).